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	hartrees
Energy at 0K	-835.731851
Energy at 298.15K
HF Energy	-835.258252
Nuclear repulsion energy	147.394828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3190	7.78
2	A	3176	3176	6.71
3	A	3075	3075	21.38
4	A	2699	2699	11.19
5	A	1483	1483	7.38
6	A	1464	1464	7.15
7	A	1355	1355	6.64
8	A	982	982	4.80
9	A	979	979	3.84
10	A	892	892	3.53
11	A	720	720	1.36
12	A	506	506	0.58
13	A	306	306	16.10
14	A	244	244	0.14
15	A	179	179	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	-1.633	0.710	-0.005
S2	-0.496	-0.720	0.014
S3	1.364	0.243	-0.087
H4	1.549	0.427	1.242
H5	-1.476	1.321	-0.907
H6	-2.654	0.290	-0.020
H7	-1.508	1.327	0.898

	C1	S2	S3	H4	H5	H6	H7
C1		1.8267	3.0343	3.4298	1.1007	1.1036	1.1014
S2	1.8267		2.0964	2.6470	2.4443	2.3828	2.4484
S3	3.0343	2.0964		1.3548	3.1467	4.0186	3.2236
H4	3.4298	2.6470	1.3548		3.8173	4.3907	3.2050
H5	1.1007	2.4443	3.1467	3.8173		1.7990	1.8051
H6	1.1036	2.3828	4.0186	4.3907	1.7990		1.7979
H7	1.1014	2.4484	3.2236	3.2050	1.8051	1.7979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.105	S2	C1	H5	110.773
S2	C1	H6	106.176	S2	C1	H7	111.044
S2	S3	H4	97.852	H5	C1	H6	109.398
H5	C1	H7	110.110	H6	C1	H7	109.244

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)

using model chemistry: CCSD=FULL/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3SSH (Hydrogen methyl disulfide)

using model chemistry: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)